Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50405977
Substrate
n/a
Meas. Tech.
ChEMBL_54726 (CHEMBL668339)
Ki
20±n/a nM
Citation
 Selassie, CD; Li, RL; Poe, M; Hansch, C On the optimization of hydrophobic and hydrophilic substituent interactions of 2,4-diamino-5-(substituted-benzyl)pyrimidines with dihydrofolate reductase. J Med Chem 34:46-54 (1991) [PubMed]
Target
Name:
Dihydrofolate reductase
Synonyms:
1.5.1.3 | Dihydrofolate reductase | folA | t0090
Type:
PROTEIN
Mol. Mass.:
17976.56
Organism:
Salmonella enterica subsp. enterica serovar Typhi
Description:
ChEMBL_13019
Residue:
159
Sequence:
MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVVMGRHTWESIGRPLPGRKNIIISSQPGTDDRVQWVKSVDEAIAACGDAPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
  
Inhibitor
Name:
BDBM50405977
Synonyms:
CHEMBL277391
Type:
Small organic molecule
Emp. Form.:
C13H13F3N4O
Mol. Mass.:
298.2637
SMILES:
COc1ccc(Cc2cnc(N)nc2N)cc1C(F)(F)F
Structure:
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